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BDBM50277227 4-(5-(5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl)-2-methylphenylsulfonyl)morpholine::CHEMBL503518

SMILES: Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nnc(CC2CCCCC2)[nH]1

InChI Key: InChIKey=UEQVMIBOGYALNW-UHFFFAOYSA-N

Data: 2 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50277227   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50277227
PNG
(4-(5-(5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl)-...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nnc(CC2CCCCC2)[nH]1
Show InChI InChI=1S/C20H28N4O3S/c1-15-7-8-17(14-18(15)28(25,26)24-9-11-27-12-10-24)20-21-19(22-23-20)13-16-5-3-2-4-6-16/h7-8,14,16H,2-6,9-13H2,1H3,(H,21,22,23)
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PC cid
PC sid
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27n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB2 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50277227
PNG
(4-(5-(5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl)-...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nnc(CC2CCCCC2)[nH]1
Show InChI InChI=1S/C20H28N4O3S/c1-15-7-8-17(14-18(15)28(25,26)24-9-11-27-12-10-24)20-21-19(22-23-20)13-16-5-3-2-4-6-16/h7-8,14,16H,2-6,9-13H2,1H3,(H,21,22,23)
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310n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB1 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50277227
PNG
(4-(5-(5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl)-...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nnc(CC2CCCCC2)[nH]1
Show InChI InChI=1S/C20H28N4O3S/c1-15-7-8-17(14-18(15)28(25,26)24-9-11-27-12-10-24)20-21-19(22-23-20)13-16-5-3-2-4-6-16/h7-8,14,16H,2-6,9-13H2,1H3,(H,21,22,23)
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n/an/an/an/a 57n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair